%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
S 1.93594853 0.75596553 -1.58966723
C 1.74226018 -0.82951748 -0.79508845
C 2.59346771 -0.88075544 0.34877044
C 3.2161247 0.33891005 0.63646179
C 2.93499546 1.30787001 -0.32207598
H 1.57731575 -1.69699808 -1.4372338
H 2.73484437 -1.79055839 0.92676977
H 3.8494777 0.52051383 1.49711422
H 3.27121202 2.33975613 -0.31358358
In -0.3243168 -0.62051495 0.26359221
Cl -0.42281377 1.22724933 1.56673
Cl -1.69861385 -2.32529132 -0.28713718

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb -Xe -Sn -In -Y -Ga -Hg 0
sdd


